3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile

C10H18N2 — CID 171056993

IUPAC3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile
SMILESCCC1(C#N)CCN(C(C)C)C1
InChIInChI=1S/C10H18N2/c1-4-10(7-11)5-6-12(8-10)9(2)3/h9H,4-6,8H2,1-3H3
InChIKeyNNOWDZQLXSIXQP-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds2

About 3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile

3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile (PubChem CID 171056993) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile
PubChem CID171056993
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile
SMILESCCC1(C#N)CCN(C(C)C)C1
InChIInChI=1S/C10H18N2/c1-4-10(7-11)5-6-12(8-10)9(2)3/h9H,4-6,8H2,1-3H3
InChIKeyNNOWDZQLXSIXQP-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile?
The IUPAC name of 3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile (CID 171056993) is 3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile?
The canonical SMILES for 3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile is CCC1(C#N)CCN(C(C)C)C1.
What is the InChIKey of 3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile?
The InChIKey is NNOWDZQLXSIXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-10(7-11)5-6-12(8-10)9(2)3/h9H,4-6,8H2,1-3H3.
What are the key properties of 3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile?
3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 171056993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).